Re: [ccp4bb] phaser oprn error

2007-03-26 Thread Daniel Picot
You may have called the version of phaser installed in the phenix path. Type wich phaser in a terminal to check it. Daniel yang li a écrit : Hi: I am using CCP4 6.0.2, it has phaser contained in this package. When I use it to do mr, error occured: *

Re: [ccp4bb] Nature policy update regarding source code

2007-03-26 Thread Ian Tickle
In any case, does Nature Methods actually publish any papers that fall into the category (quote) "custom-designed software necessary for the method's implementation" where "a software program is the focus of the report", at least in the area of macromolecular structure determination? Come to that,

Re: [ccp4bb] Solving a structure by MR with a pseudo-translation vector

2007-03-26 Thread Eleanor Dodson
These structures are horrible.. Remember you do not know your spacegroup. Absences along 0k0 and 00l will be very influenced by the translation. Sp you need to test all: P21 2 2 P21 21 2P21 2 21 P21 21 21 Run MOLREP using the pseudo translation vector - it is an option in the GUI under

Re: [ccp4bb] Highest shell standards

2007-03-26 Thread Fred. Vellieux
On Fri, 23 Mar 2007, Edward Berry wrote: > I believe fft does not by default do this- only if you use the "fillin" > keyword? One place where it might be important is in density > modification/ molecular averaging. Molecular averaging can be seen > as a numerical solution of the MR equations, fi

Re: [ccp4bb] Inclusion body

2007-03-26 Thread Cynthia Kinsland
We have tried them and had them work for a few proteins that didn't look hopeful other ways. The chaperones express well and obviously by gel and, in fact, we had one protein that was difficult to separate from the Cpn60. We very carefully follow the instructions on induction that come with

Re: [ccp4bb] Nature policy update regarding source code

2007-03-26 Thread artem
Hi, >From a very narrow point of view of a crystallographer/protein expressionist, this is an overkill. Obviously if you're dealing with articles in materials science, physics, etc. - not everything is as simple as getting some DNA. Generally speaking, if someone wants to reproduce nearly any cry

Re: [ccp4bb] Nature policy update regarding source code

2007-03-26 Thread Ian Tickle
It seems to me to be important in this context to draw the distinction between _software_ which is about the most ephemeral thing I can think of (OK maybe butterflies are more so) - e.g. try compiling code published > 5 years ago - and _algorithms_ which if well constructed are potentially everlast

Re: [ccp4bb] Highest shell standards

2007-03-26 Thread Michel Fodje
You are probably referring to the following works: Caliandro et al, Acta Cryst. D61 (2005) 556-565 and Caliandro et al, Acta Cryst. D61 (2005) 1080-1087 in which they used density modification to calculate phases for unmeasured reflections, and used the phases to extend the resolution by calculat

[ccp4bb] SHARP question

2007-03-26 Thread artis
Hi all, I am a first time SHARP user. I have it installed on SUse 10.0 OS and configured to ccp4-6.0.2. I do not see the option for inputting known phase information from my .mtz file on the "Global" page, even if the mtz file has the Hendrickson-Lattman coefficients. Also, in the "Phase improvemen

Re: [ccp4bb] Highest shell standards

2007-03-26 Thread Edward A. Berry
Actually I was thinking of a somewhat earlier paper: Rayment,I. Molecular relacement method at low resolution: optimum strategy and intrinsic limitations as determined by calculations on icosahedral virus models. Acta Crystallogr. A 39, 102 116 (1983). But thanks for bringing the Caliandro et a

Re: [ccp4bb] Highest shell standards -oops-

2007-03-26 Thread Edward A. Berry
-oops- many missing REFLECTIONS are included.

Re: [ccp4bb] SHARP question

2007-03-26 Thread Schneider Sabine
Hello Arti, To be able to input external phases as HL you have to set the "User level" in the "Preferences" to "Advanced" or "Expert". I think that also changes the options you have in the "phase improvement panel". Sabine Sabine Schneider School of Pharmacy and Centre for Biomolecular Sciences

Re: [ccp4bb] Highest shell standards

2007-03-26 Thread price
Isn't automatically included fabricated data for missing reflections a really bad idea for anisotropic data where most reflections are "missing" at high resolution? Shouldn't there be a big flashing red flag alerting the user to what's been done? Phoebe At 01:22 PM 3/26/2007, Edward A

[ccp4bb] phaser in ccp46.0.2

2007-03-26 Thread yang li
Hi, Anyone has used phser in ccp46.0.2 which is automatically installed with ccp4? In previous ccp4 edition I installed phaser seperately and it worked well, but now it seems has some problems, it cannot read the input mtz file, I tried several data, all gave the same error information like b

Re: [ccp4bb] phaser in ccp46.0.2

2007-03-26 Thread Tim Gruene
Hi, You are almost certainly not using phaser that came with ccp4, but some other version, e.g. phenix. From the window you start ccp4i from, type 'which phaser'. It should say '/your/path/to/ccp4-6.0.2/bin/phaser', but it will say something different in your case (e.g. '/your/path/to/phenix/